methyl 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoyl-4-piperidyl)methylamino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(1-iminoethyl)-4-piperidinyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoate Traditional Name: 3-[[(1-acetimidoyl-4-piperidyl)methylamino]methyl]-5-(3-amidinophenyl)benzoic acid methyl ester Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C24H31N5O2/c1-16(25)29-8-6-17(7-9-29)14-28-15-18-10-21(13-22(11-18)24(30)31-2)19-4-3-5-20(12-19)23(26)27/h3-5,10-13,17,25,28H,6-9,14-15H2,1-2H3,(H3,26,27)